Marton Vass
Marton Vass
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Chemical diversity in the G protein-coupled receptor superfamily
M Vass, AJ Kooistra, D Yang, RC Stevens, MW Wang, C de Graaf
Trends in Pharmacological Sciences 39 (5), 494-512, 2018
The impact of molecular dynamics sampling on the performance of virtual screening against GPCRs
Á Tarcsay, G Paragi, M Vass, B Jójárt, F Bogár, GM Keserű
Journal of chemical information and modeling 53 (11), 2990-2999, 2013
Virtual fragment screening on GPCRs: a case study on dopamine D3 and histamine H4 receptors
M Vass, É Schmidt, F Horti, GM Keserű
European journal of medicinal chemistry 77, 38-46, 2014
Molecular interaction fingerprint approaches for GPCR drug discovery
M Vass, AJ Kooistra, T Ritschel, R Leurs, IJ De Esch, C De Graaf
Current opinion in pharmacology 30, 59-68, 2016
Aminergic gpcr–ligand interactions: A chemical and structural map of receptor mutation data
M Vass, S Podlewska, IJP De Esch, AJ Bojarski, R Leurs, AJ Kooistra, ...
Journal of medicinal chemistry 62 (8), 3784-3839, 2018
Multiple fragment docking and linking in primary and secondary pockets of dopamine receptors
M Vass, É Ágai-Csongor, F Horti, GM Keserű
ACS medicinal chemistry letters 5 (9), 1010-1014, 2014
Multiple ligand docking by Glide: implications for virtual second-site screening
M Vass, Á Tarcsay, GM Keserű
Journal of computer-aided molecular design 26 (7), 821-834, 2012
3D-e-Chem-VM: structural cheminformatics research infrastructure in a freely available virtual machine
R McGuire, S Verhoeven, M Vass, G Vriend, IJP De Esch, SJ Lusher, ...
Journal of chemical information and modeling 57 (2), 115-121, 2017
3D‐e‐Chem: Structural cheminformatics workflows for computer‐aided drug discovery
AJ Kooistra, M Vass, R McGuire, R Leurs, IJP De Esch, G Vriend, ...
ChemMedChem 13 (6), 614-626, 2018
Cell-based and virtual fragment screening for adrenergic α2C receptor agonists
E Szőllősi, A Bobok, L Kiss, M Vass, D Kurkó, S Kolok, A Visegrády, ...
Bioorganic & Medicinal Chemistry 23 (14), 3991-3999, 2015
Structural insights into serotonin receptor ligands polypharmacology
S Podlewska, R Kafel, E Lacivita, G Satała, AJ Kooistra, M Vass, ...
European Journal of Medicinal Chemistry 151, 797-814, 2018
Dynamics and structural determinants of ligand recognition of the 5-HT6 receptor
M Vass, B Jójárt, F Bogár, G Paragi, GM Keserű, Á Tarcsay
Journal of computer-aided molecular design 29 (12), 1137-1149, 2015
Fragments to link. A multiple docking strategy for second site binders
M Vass, GM Keserű
MedChemComm 4 (3), 510-514, 2013
A structural framework for GPCR chemogenomics: what’s in a residue number?
M Vass, AJ Kooistra, S Verhoeven, D Gloriam, IJP de Esch, C Graaf
Computational Methods for GPCR Drug Discovery, 73-113, 2018
Discovery of novel allosteric modulators targeting an extra-helical binding site of glp-1r using structure-and ligand-based virtual screening
Q Zhou, W Guo, A Dai, X Cai, M Vass, C de Graaf, W Shui, S Zhao, ...
Biomolecules 11 (7), 929, 2021
Controlling the selectivity of aminergic GPCR ligands from the extracellular vestibule
A Egyed, ÁA Kelemen, M Vass, A Visegrády, SA Thee, Z Wang, ...
Bioorganic Chemistry 111, 104832, 2021
Discovery of novel positive allosteric modulators of the α7 nicotinic acetylcholine receptor: Scaffold hopping approach
I Ledneczki, P Tapolcsányi, E Gábor, A Visegrády, M Vass, J Éles, P Holm, ...
European Journal of Medicinal Chemistry 214, 113189, 2021
Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery
Y Zhang, M Vass, D Shi, E Abualrous, J Chambers, N Chopra, C Higgs, ...
-Fragment-Based Methods in Drug Design
M Vass, G Makara, GM Keseru
In Silico drug discovery and design, 370-407, 2015
In silico methodologies aiding fragment-based discovery
M Vass
Budapesti Műszaki és Gazdaságtudományi Egyetem, 2014
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